SCHEMBL7400296

SCHEMBL7400296

O=C(c1ccc(Cl)s1)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.49
MAP2K1 Q02750 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CDKN1A P38936 1/20 0.47
TLR8 Q9NR97 1/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.41
DYRK1A Q13627 2/20 0.41
PIM1 P11309 2/20 0.41
LIMK1 P53667 2/20 0.41
MAPK9 P45984 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
DYRK3 O43781 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7398479 0.88 KDM4E (0.49) DYRK1BMAP2K1CLK4CDKN1ATLR8
SCHEMBL7370182 0.87 MAP2K1 (0.49) DYRK1BMAP2K1CLK4CDKN1ATLR8
SCHEMBL7399529 0.87 TLR8 (0.49) DYRK1BMAP2K1CLK4CDKN1ATLR8
SCHEMBL7400033 0.83 MAP2K1 (0.51) DYRK1BMAP2K1CLK4CDKN1ATLR8
SCHEMBL7365326 0.82 KDM4E (0.67) CDKN1ATLR8KDM4E
SCHEMBL7360098 0.81 MAP2K1 (0.56) DYRK1BMAP2K1CLK4TLR8KDM4E
SCHEMBL11162191 0.80 KDM4E (0.65) DYRK1BMAP2K1CLK4TLR8KDM4E
SCHEMBL7361400 0.80 CLK4 (0.62) DYRK1BMAP2K1CLK4TLR8KDM4E
SCHEMBL7366580 0.80 MAP2K1 (0.55) DYRK1BMAP2K1CLK4CDKN1ATLR8
SCHEMBL7402325 0.80 MAP2K1 (0.50) DYRK1BMAP2K1CLK4TLR8KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed